Chem
J-GLOBAL ID：200907054258845970   Nikkaji number：J1.558.922A

1-[(2R,3R)-2-Hydroxy-2-(2,4-difluorophenyl)-3-[2-oxo-3-[4-(1H-tetrazole-1-yl)phenyl]-1-imidazolidinyl]butyl]-4-(ethoxycarbonyloxymethyl)-1H-1,2,4-triazole-4-ium

1-[(2R,3R)-2-ヒドロキシ-2-(2,4-ジフルオロフェニル)-3-[2-オキソ-3-[4-(1H-テトラゾール-1-イル)フェニル]-1-イミダゾリジニル]ブチル]-4-(エトキシカルボニルオキシメチル)-1H-1,2,4-トリアゾール-4-イウム
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C26H28F2N8[N+]O5
Molecular formula furigana： C26-H28-F2-N9-O5
Molecular weight： 584.564
InChI： InChI=1S/C26H28F2N9O5/c1-3-41-25(39)42-17-33-15-30-34(16-33)13-26(40,22-9-4-19(27)12-23(22)28)18(2)35-10-11-36(24(35)38)20-5-7-21(8-6-20)37-14-29-31-32-37/h4-9,12,14-16,18,40H,3,10-11,13,17H2,1-2H3/q+1/t18-,26-/m1/s1
InChI key： HORRYNGWUBZVIA-WXTAPIANSA-N
SMILES： CCOC(=O)OC[n+]1cnn(C[C@@](O)([C@@H](C)N2CCN(C2=O)c2ccc(cc2)n2cnnn2)c2ccc(F)cc2F)c1
Systematic name  (3)：
  • 1-[(2R,3R)-2-ヒドロキシ-2-(2,4-ジフルオロフェニル)-3-[2-オキソ-3-[4-(1H-テトラゾール-1-イル)フェニル]-1-イミダゾリジニル]ブチル]-4-(エトキシカルボニルオキシメチル)-1H-1,2,4-トリアゾール-4-イウム
  • 1-[(2R,3R)-2-(2,4-ジフルオロフェニル)-2-ヒドロキシ-3-{2-オキソ-3-[4-(1H-1,2,3,4-テトラゾール-1-イル)フェニル]イミダゾリジン-1-イル}ブチル]-4-{[(エトキシカルボニル)オキシ]メチル}-1H-1,2,4-トリアゾール-4-イウム
  • 1-[(2R,3R)-2-(2,4-difluorophenyl)-2-hydroxy-3-{2-oxo-3-[4-(1H-1,2,3,4-tetrazol-1-yl)phenyl]imidazolidin-1-yl}butyl]-4-{[(ethoxycarbonyl)oxy]methyl}-1H-1,2,4-triazol-4-ium
Other name (1)：
  • 1-[(2R,3R)-2-Hydroxy-2-(2,4-difluorophenyl)-3-[2-oxo-3-[4-(1H-tetrazole-1-yl)phenyl]-1-imidazolidinyl]butyl]-4-(ethoxycarbonyloxymethyl)-1H-1,2,4-triazole-4-ium
Thsaurus map：
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